3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine

C16H17NOS2 — CID 115864800

IUPAC3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
SMILESCOc1ccc(CCC(N)c2cc3sccc3s2)cc1
InChIInChI=1S/C16H17NOS2/c1-18-12-5-2-11(3-6-12)4-7-13(17)15-10-16-14(20-15)8-9-19-16/h2-3,5-6,8-10,13H,4,7,17H2,1H3
InChIKeyDGQFFISGUKBZEV-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.60
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine

3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine (PubChem CID 115864800) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
PubChem CID115864800
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC Name3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
SMILESCOc1ccc(CCC(N)c2cc3sccc3s2)cc1
InChIInChI=1S/C16H17NOS2/c1-18-12-5-2-11(3-6-12)4-7-13(17)15-10-16-14(20-15)8-9-19-16/h2-3,5-6,8-10,13H,4,7,17H2,1H3
InChIKeyDGQFFISGUKBZEV-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104986246
[4-(2-methoxyethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80746017
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
5-(4-methoxyphenyl)thieno[3,2-b]thiophene
CID 135070727
(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745438
5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
CID 80745520
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine (CID 115864800) is 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine is COc1ccc(CCC(N)c2cc3sccc3s2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
The InChIKey is DGQFFISGUKBZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS2/c1-18-12-5-2-11(3-6-12)4-7-13(17)15-10-16-14(20-15)8-9-19-16/h2-3,5-6,8-10,13H,4,7,17H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine?
3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine is sourced from PubChem (CID 115864800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).